U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ErTlS2 by Materials Project
Abstract
ErTlS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Er3+ is bonded to six equivalent S2- atoms to form ErS6 octahedra that share corners with six equivalent TlS6 octahedra, edges with six equivalent ErS6 octahedra, and edges with six equivalent TlS6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Er–S bond lengths are 2.74 Å. Tl1+ is bonded to six equivalent S2- atoms to form distorted TlS6 octahedra that share corners with six equivalent ErS6 octahedra, edges with six equivalent ErS6 octahedra, and edges with six equivalent TlS6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Tl–S bond lengths are 3.25 Å. S2- is bonded to three equivalent Er3+ and three equivalent Tl1+ atoms to form a mixture of distorted corner and edge-sharing SEr3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-4123
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Er-S-Tl; ErTlS2; crystal structure
- OSTI Identifier:
- 1207874
- DOI:
- https://doi.org/10.17188/1207874
Citation Formats
Materials Data on ErTlS2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1207874.
Materials Data on ErTlS2 by Materials Project. United States. doi:https://doi.org/10.17188/1207874
2020.
"Materials Data on ErTlS2 by Materials Project". United States. doi:https://doi.org/10.17188/1207874. https://www.osti.gov/servlets/purl/1207874. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1207874,
title = {Materials Data on ErTlS2 by Materials Project},
abstractNote = {ErTlS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Er3+ is bonded to six equivalent S2- atoms to form ErS6 octahedra that share corners with six equivalent TlS6 octahedra, edges with six equivalent ErS6 octahedra, and edges with six equivalent TlS6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Er–S bond lengths are 2.74 Å. Tl1+ is bonded to six equivalent S2- atoms to form distorted TlS6 octahedra that share corners with six equivalent ErS6 octahedra, edges with six equivalent ErS6 octahedra, and edges with six equivalent TlS6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Tl–S bond lengths are 3.25 Å. S2- is bonded to three equivalent Er3+ and three equivalent Tl1+ atoms to form a mixture of distorted corner and edge-sharing SEr3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1207874},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}